(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile

Formula:C27H17N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenoxyanilino)prop-2-enenitrile
MolecularFormula	C27H17N3O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\Nc(cc1)ccc1Oc1ccccc1
InChI	InChI=1S/C27H17N3O3S/c28-15-19(16-29-20-10-12-22(13-11-20)32-21-7-2-1-3-8-21)26-30-24(17-34-26)23-14-18-6-4-5-9-25(18)33-27(23)31/h1-14,16-17,29H
InChIK	VGOAKSOOWITDIA-UHFFFAOYSA-N
TotalMolweight	463.516
Molweight	463.516
MonoisotopicMass	463.099062
CLogP	3.876
CLogS	-6.637
H Acceptors	6
H Donors	1
TotalSurfaceArea	354.08
Relative PSA	0.25246
PolarSurfaceArea	112.48
Druglikeness	-1.1187
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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